1-ISOCYANATO-3,5-BIS(TRIFLUOROMETHYL)BENZENE

1-ISOCYANATO-3,5-BIS(TRIFLUOROMETHYL)BENZENE - Names and Identifiers

Name	3,5-BIS(TRIFLUOROMETHYL)PHENYL ISOCYANATE
Synonyms	3,5-DI(TRIFLUOROMETHYL)PHENYLISOCYANATE 3,5-BIS(TRIFLUOROMETHYL)PHENYL ISOCYANATE 1-ISOCYANATO-3,5-BIS(TRIFLUOROMETHYL)BENZENE 3,5-Bis(trifluoromethyl)phenyl IsocyanateIsocyanic Acid 3,5-Bis(trifluoromethyl)phenyl Ester alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-5-isocyanato-m-xylene, 1,3-Bis(trifluoromethyl)-5-isocyanatobenzene
CAS	16588-74-2
InChI	InChI=1/C9H3F6NO/c10-8(11,12)5-1-6(9(13,14)15)3-7(2-5)16-4-17/h1-3H

1-ISOCYANATO-3,5-BIS(TRIFLUOROMETHYL)BENZENE - Physico-chemical Properties

Molecular Formula	C9H3F6NO
Molar Mass	255.12
Density	1.476 g/mL at 25 °C (lit.)
Boling Point	62 °C (2 mmHg)
Flash Point	154°F
Water Solubility	Hydrolyzes with water.
Vapor Presure	3.03mmHg at 25°C
Appearance	Liquid
Color	Clear colorless
BRN	542272
Storage Condition	Room Temprature
Sensitive	Moisture Sensitive
Refractive Index	n20/D 1.43(lit.)
MDL	MFCD00013559
Physical and Chemical Properties	Sensitivity: motion Sensitive WGK Germany:3

1-ISOCYANATO-3,5-BIS(TRIFLUOROMETHYL)BENZENE - Risk and Safety

Risk Codes	R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S23 - Do not breathe vapour. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S27 - Take off immediately all contaminated clothing. S28 - After contact with skin, wash immediately with plenty of soap-suds. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection.
UN IDs	UN 2206 6.1/PG 3
WGK Germany	3
HS Code	29291090
Hazard Note	Irritant
Hazard Class	6.1
Packing Group	III

1-ISOCYANATO-3,5-BIS(TRIFLUOROMETHYL)BENZENE - Introduction

3,5-bis (TRIFLUOROMETHYL)PHENYL isocyyanate, with the chemical formula C9H4F6N2O2, is an organic compound. The following is a description of its nature, use, preparation and safety information:

1. Nature:
-Appearance: Colorless to light yellow liquid.
-Melting point:-35 ℃.
-Boiling point: 204-205 ℃.
-Density: 1.558 g/mL.
-Stability: Stable at room temperature, but avoid exposure to sunlight, heat sources or open flames.

2. Use:
-3,5-bis (TRIFLUOROMETHYL)PHENYL isocyyanate is often used as an important reagent in organic synthesis.
-It can be used to synthesize trifluoromethyl-containing compounds, which is of great significance for the synthesis and modification of aromatic compounds in organic chemistry.

3. Preparation method:
- 3,5-bis (TRIFLUOROMETHYL)PHENYL ISOCYANATE is usually prepared by the reaction of PHENYL thiourea and TRIFLUOROMETHYL ISOCYANATE.
Specifically, phenylthiourea and trifluoromethyl isocyanate are reacted with heating in an ethylene glycol solvent to obtain a product, which can be purified by extraction, crystallization and the like.

4. Safety Information:
-3,5-bis (TRIFLUOROMETHYL)PHENYL isocyyanate is an organic compound that is potentially dangerous.
-Take appropriate precautions during handling and use, including wearing protective gloves, goggles and protective clothing.
-Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water and seek medical advice.
-Operate in a well-ventilated place to avoid inhaling its vapors.
-Waste disposal shall comply with relevant laws and regulations and shall not be dumped at will.

Last Update：2024-04-10 22:29:15